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ladme
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zlabel for ordermaps
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‎src/presentation/mod.rs

+13
Original file line numberDiff line numberDiff line change
@@ -297,20 +297,33 @@ pub(crate) trait OrderType {
297297
/// Atomistic order parameters are reported as -S_CD.
298298
/// Coarse grained order parameters are reported as P2.
299299
fn convert(order: f32) -> f32;
300+
301+
/// String to use as a label for z-axis in the ordermap.
302+
fn zlabel() -> &'static str;
300303
}
301304

302305
impl OrderType for AAOrder {
303306
#[inline(always)]
304307
fn convert(order: f32) -> f32 {
305308
-order
306309
}
310+
311+
#[inline(always)]
312+
fn zlabel() -> &'static str {
313+
"order parameter ($-S_{CH}$)"
314+
}
307315
}
308316

309317
impl OrderType for CGOrder {
310318
#[inline(always)]
311319
fn convert(order: f32) -> f32 {
312320
order
313321
}
322+
323+
#[inline(always)]
324+
fn zlabel() -> &'static str {
325+
"order parameter ($S$)"
326+
}
314327
}
315328

316329
impl BondResults {

‎src/presentation/ordermap.rs

+3-1
Original file line numberDiff line numberDiff line change
@@ -80,9 +80,11 @@ impl Map {
8080

8181
let (label_x, label_y) = self.params().plane().expect(PANIC_MESSAGE).get_labels();
8282

83+
let label_z = O::zlabel();
84+
8385
writeln!(
8486
output,
85-
"@ xlabel {label_x}-dimension [nm]\n@ ylabel {label_y}-dimension [nm]\n@ zrange -1 1 0.2"
87+
"@ xlabel {label_x}-dimension [nm]\n@ ylabel {label_y}-dimension [nm]\n@ zlabel {label_z}\n@ zrange -1 1 0.2"
8688
)
8789
.map_err(|_| OrderMapWriteError::CouldNotWriteLine(Box::from(Path::new(&full_path))))?;
8890

‎tests/files/ordermap_atom_expected.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.1.0'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($S$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermap_bonds_expected.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.1.0'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($S$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C218-87--POPC-H18R-88_full.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C218-87--POPC-H18R-88_lower.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C218-87--POPC-H18R-88_upper.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C218-87--POPC-H18S-89_full.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C218-87--POPC-H18S-89_lower.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C218-87--POPC-H18S-89_upper.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C218-87--POPC-H18T-90_full.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C218-87--POPC-H18T-90_lower.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C218-87--POPC-H18T-90_upper.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C218-87_full.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C218-87_lower.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C218-87_upper.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C22-32--POPC-H2R-33_full.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C22-32--POPC-H2R-33_lower.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C22-32--POPC-H2R-33_upper.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C22-32--POPC-H2S-34_full.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C22-32--POPC-H2S-34_lower.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C22-32--POPC-H2S-34_upper.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C22-32_full.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C22-32_lower.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C22-32_upper.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C24-47--POPC-H4R-48_full.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C24-47--POPC-H4R-48_lower.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C24-47--POPC-H4R-48_upper.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C24-47--POPC-H4S-49_full.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C24-47--POPC-H4S-49_lower.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C24-47--POPC-H4S-49_upper.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C24-47_full.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C24-47_lower.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_POPC-C24-47_upper.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.2'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps/ordermap_xz.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.3'.
33
@ xlabel x-dimension [nm]
44
@ ylabel z-dimension [nm]
5+
@ zlabel order parameter ($-S_{CH}$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps_cg/ordermap_POPC-C1B-8--POPC-C2B-9_full.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.4'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($S$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps_cg/ordermap_POPC-C1B-8--POPC-C2B-9_lower.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.4'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($S$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps_cg/ordermap_POPC-C1B-8--POPC-C2B-9_upper.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.4'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($S$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps_cg/ordermap_POPC-C2B-9--POPC-C3B-10_full.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.4'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($S$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps_cg/ordermap_POPC-C2B-9--POPC-C3B-10_lower.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.4'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($S$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps_cg/ordermap_POPC-C2B-9--POPC-C3B-10_upper.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.4'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($S$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps_cg/ordermap_POPC-C3B-10--POPC-C4B-11_full.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.4'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($S$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps_cg/ordermap_POPC-C3B-10--POPC-C4B-11_lower.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.4'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($S$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

‎tests/files/ordermaps_cg/ordermap_POPC-C3B-10--POPC-C4B-11_upper.dat

+1
Original file line numberDiff line numberDiff line change
@@ -2,6 +2,7 @@
22
# Calculated with 'gorder v0.2.0-dev.4'.
33
@ xlabel x-dimension [nm]
44
@ ylabel y-dimension [nm]
5+
@ zlabel order parameter ($S$)
56
@ zrange -1 1 0.2
67
$ type colorbar
78
$ colormap seismic_r

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